Multidimensional Quantum Dynamics

IntroductionTHEORYThe Road to MCTDHBasic MCTDH TheoryIntegration SchemesPreparation of the Initial WavepacketAnalysis of the Propagated Wave PacketMCTDH for Density OperatorsComputing Eigenstates by Relaxation and Improved RelaxationIterative Diagonalzation of OperatorsCorrelation Discrete Variable RepresenationPotential Representations (potfit)Kinetic Energy OperatorsEXTENSION TO NEW AREASDirect Dynamics with Quantum NucleiMultilayer Formulation of the Multiconfiguration Time-Dependent Hartree TheoryShared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree MethodStrongly Driven Few-Fermion Systems - MCTDHFThe Multiconfigurational Time-Dependent Hartree Method for Identical Particles and Mixtures ThereofAPPLICATIONSMultidimensional Non-Adiabatic DynamicsMCTDH Calculation of Flux Correlation Functions: Rates and Reaction Probabilities for Polyatomic Chemical ReactionsReactive and Non-Reactive Scattering of Molecules From SurfacesIntramolecular Vibrational Energy Redistribution and Infrared SpectroscopyOpen System Quantum Dynamics with Discretized EnvironmentsProton Transfer and Hydrated Proton in Small Water SystemsLaser-Driven Dynamics and Quantum Control of Molecular WavepacketsPolyatomic Dynamics of Dissociative Electron Attachment to Water Using MCTDHUltracold Few-Boson Systems in Traps

Hans-Dieter Meyer is Professor at the University of Heidelberg, Germany. He received his Ph.D. in 1978 from the University of Göttingen under the supervision of Professor J.P. Toennies. He joined Professor W.H. Miller in Berkeley as a postdoc (1978-1979), and has since been in Heidelberg. He has published more than 150 articles in refereed journals treating various problems including heavy-particle scattering, electron scattering, computation of resonances, semiclassical methods, quantum chaos, vibronic coupling, system-bath problems, and internal vibrational energy transfer. Over the last decade, this work was mainly concentrated on the development and application of the MCTDH method.

Fabien Gatti is senior research fellow at the French Centre National de Recherche Scientifique (CNRS). He studied at the Ecole Normale Supérieure in Cachan (from 1992), has a lecture qualification in chemistry and received a DEA research degree in quantum physics at the Ecole Normale Supérieure of Paris in 1996. He received his Ph.D. in 1999 in Montpellier under supervision of Professor C. Iung and stayed with Professor Hans-Dieter Meyer (1999-2001) in Heidelberg as a postdoc (1999-2001), subsequently returning to Montpellier. His present work is concentrated on MCTDH and the derivation of kinetic energy operators in curvilinear coordinates.

Graham Worth has been a research fellow at the University of Birmingham since 2005. He studied at the University of Oxford and obtained a Ph.D. in chemistry in 1992 under the supervision of Prof. W. G. Richards. This was followed by postdoctoral studies in Heidelberg, first at the European Molecular Biology Laboratory (EMBL), then at Heidelberg University as a Marie-Curie Fellow. During this later time he worked with Hans-Dieter Meyer on the development and implementation of the MCTDH method and its application to molecular systems featuring important non-adiabatic effects.